7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

C24H30N8O4 — CID 123488001

IUPAC7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOC1CN(N(c2ccccc2)c2ncc3c(=O)c(C(N)=O)c(N)n(CC4CCNC4)c3n2)CCO1
InChIInChI=1S/C24H30N8O4/c1-35-18-14-30(9-10-36-18)32(16-5-3-2-4-6-16)24-28-12-17-20(33)19(22(26)34)21(25)31(23(17)29-24)13-15-7-8-27-11-15/h2-6,12,15,18,27H,7-11,13-14,25H2,1H3,(H2,26,34)
InChIKeyPPLDJEQUYDHMDG-UHFFFAOYSA-N
MW494.56 g/mol
LogP0.44
Rot. Bonds7

About 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 123488001) has the molecular formula C24H30N8O4 and a molecular weight of 494.56 g/mol. Its IUPAC name is 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID123488001
Molecular FormulaC24H30N8O4
Molecular Weight494.56 g/mol
Exact Mass494.24
IUPAC Name7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOC1CN(N(c2ccccc2)c2ncc3c(=O)c(C(N)=O)c(N)n(CC4CCNC4)c3n2)CCO1
InChIInChI=1S/C24H30N8O4/c1-35-18-14-30(9-10-36-18)32(16-5-3-2-4-6-16)24-28-12-17-20(33)19(22(26)34)21(25)31(23(17)29-24)13-15-7-8-27-11-15/h2-6,12,15,18,27H,7-11,13-14,25H2,1H3,(H2,26,34)
InChIKeyPPLDJEQUYDHMDG-UHFFFAOYSA-N
XLogP0.44
TPSA153.86 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 123488001) is 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is COC1CN(N(c2ccccc2)c2ncc3c(=O)c(C(N)=O)c(N)n(CC4CCNC4)c3n2)CCO1.
What is the InChIKey of 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PPLDJEQUYDHMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O4/c1-35-18-14-30(9-10-36-18)32(16-5-3-2-4-6-16)24-28-12-17-20(33)19(22(26)34)21(25)31(23(17)29-24)13-15-7-8-27-11-15/h2-6,12,15,18,27H,7-11,13-14,25H2,1H3,(H2,26,34).
What are the key properties of 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 494.56 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(N-(2-methoxymorpholin-4-yl)anilino)-5-oxo-8-(pyrrolidin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 123488001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).